SCHEMBL29436357

SCHEMBL29436357

CC(C)(C)OC(=O)c1ccc(OC[C@@]2(C=O)CCCc3cc(Cl)ccc32)c([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 5/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ G6PD P11413 1/20 0.34
▸ ALOX12 P18054 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17558480 1.00 KDM4E (0.38) KDM4ELMNASMN1; SMN2POLBALDH1A1
SCHEMBL17558482 1.00 KDM4E (0.38) KDM4ELMNASMN1; SMN2POLBALDH1A1
SCHEMBL19285488 0.95 LMNA (0.38) KDM4ELMNASMN1; SMN2POLBALDH1A1
SCHEMBL29553154 0.95 LMNA (0.38) KDM4ELMNASMN1; SMN2POLBALDH1A1
SCHEMBL29553941 0.95 LMNA (0.38) KDM4ELMNASMN1; SMN2POLBALDH1A1
SCHEMBL23670505 0.95 LMNA (0.38) KDM4ELMNASMN1; SMN2POLBALDH1A1
SCHEMBL19285489 0.95 LMNA (0.38) KDM4ELMNASMN1; SMN2POLBALDH1A1
SCHEMBL26314559 0.91 ALDH1A1 (0.40) KDM4ELMNASMN1; SMN2POLBALDH1A1
SCHEMBL26314564 0.89 KMT2A (0.42) KDM4ELMNASMN1; SMN2POLBALDH1A1
SCHEMBL26194437 0.89 LMNA (0.41) KDM4ELMNASMN1; SMN2POLBALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12091425-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-09-17 — — US disclosed
US-12024529-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-07-02 — — US disclosed
US-20230271981-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-08-31 — — US disclosed
US-11685747-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2023-06-27 — — US disclosed
EP-3601297-B9 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2023-05-24 — — EP disclosed
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-02-16 — — US disclosed
EP-3762393-B1 ALPHA-HYDROXY PHENYLACETIC ACID PHARMACOPHORE OR BIOISOSTERE MCL-1 PROTEIN ANTAGONISTS AMGEN INC (US) 2023-01-11 — — EP disclosed
EP-3601297-B1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2022-10-19 — — EP disclosed
US-11306107-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2022-04-19 — — US disclosed
US-11274105-B2 Alpha-hydroxy phenylacetic acid pharmacophore or bioisostere Mcl-1 protein antagonists AMGEN INC. (US) 2022-03-15 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11306107-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 KDM4E 1959/4885LMNA 1191/4885SMN1; SMN2 1807/4885
US-20230271981-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL2L1, BCL9 KDM4E 2252/4885LMNA 1204/4885SMN1; SMN2 2311/4885
US-11685747-B2 Compounds that inhibit MCL-1 protein MCL1, BCL2L1, BCL9 KDM4E 2252/4885LMNA 1204/4885SMN1; SMN2 2311/4885
US-12024529-B2 Compounds that inhibit MCL-1 protein MCL1, BCL2L1, BCL9 KDM4E 2252/4885LMNA 1204/4885SMN1; SMN2 2311/4885
US-11274105-B2 Alpha-hydroxy phenylacetic acid pharmacophore or bioisostere Mcl-1 protein antagonists MCL1, BCL2A1, BCLAF1 KDM4E 3326/4885LMNA 2279/4885SMN1; SMN2 3526/4885
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 KDM4E 1959/4885LMNA 1191/4885SMN1; SMN2 1807/4885
US-12091425-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 KDM4E 1959/4885LMNA 1191/4885SMN1; SMN2 1807/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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